REMARK  Name = BDB062146
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.617   1.268   1.687  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.960   1.039   1.412  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -2.617   1.741   2.402  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.038   1.779   2.647  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.681   2.383   3.163  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -0.463   2.111   2.762  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.619   0.205   0.401  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.364   0.758  -0.680  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -4.003  -0.117  -1.602  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -4.750   0.450  -2.666  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -4.863   1.829  -2.835  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.229   2.683  -1.948  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.865  -1.518  -1.427  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.115  -2.039  -0.367  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -3.490   2.154  -0.890  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.499  -1.184   0.538  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.483  -2.455  -2.325  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -4.984  -3.215  -3.046  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.222   2.268  -0.989  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        0.909   1.130  -0.283  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1        0.513   0.669   0.992  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        1.226  -0.384   1.610  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1        0.897  -0.858   3.002  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        2.295  -0.988   0.928  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.668  -0.570  -0.355  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        1.971   0.490  -0.947  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        3.815  -1.240  -1.074  0.00  0.00    +0.116 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.085  -0.985  -0.394  0.00  0.00    -0.309 NA
ATOM     29  H   LIG    1        5.199   0.023  -0.286  0.00  0.00    +0.123 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.226  -1.569  -1.098  0.00  0.00    +0.054 C 
ATOM     31  C   LIG    1        6.620  -2.990  -0.811  0.00  0.00    +0.020 C 
ATOM     32  C   LIG    1        7.475  -1.861  -0.315  0.00  0.00    +0.020 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 6